%chk=000008839.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008839

0 1
 O   -1.470600      -1.442700      -1.767300    
 O    4.001000       2.115500     -0.6217000    
 O    2.315000       1.121400      -1.779700    
 C  -0.4300000      -2.433500      0.1874000    
 C    1.003100      -2.117600     -0.2642000    
 C   -1.430100      -2.618900     -0.9631000    
 C    2.046000      -1.912900      0.8386000    
 C   -2.654600       1.774600      0.7076000    
 C   -2.116300       3.164100      0.3536000    
 C   -4.168800       1.638500      0.5053000    
 C   -2.854100      -2.944300     -0.4776000    
 C    3.463200      -1.689300      0.3059000    
 C  -0.6153000       3.373000      0.5851000    
 C   -4.693100      0.2403000      0.8534000    
 C   0.3224000       2.485100     -0.2437000    
 C    4.459900      -1.489400       1.447900    
 C   -3.436100      -1.884300      0.4163000    
 C   -4.111500     -0.8187000     -3.7700001E-02
 C    1.813100       2.756000     -4.1200001E-02
 C    5.862300      -1.226500      0.9221000    
 C    2.694500       1.909800     -0.9270000    
 H  -0.4193000      -3.336000      0.8103000    
 H  -0.7514000      -1.601700      0.8263000    
 H    1.342200      -2.934000     -0.9150000    
 H   0.9868000      -1.216300     -0.8889000    
 H   -1.081900      -3.437500      -1.604200    
 H    1.746700      -1.054800       1.453000    
 H    2.042400      -2.790300       1.496900    
 H   -2.136200       1.032600      9.0999998E-02
 H   -2.408000       1.549300       1.752400    
 H   -2.658700       3.912000      0.9457000    
 H   -2.343400       3.377600     -0.6983000    
 H   -4.421900       1.880400     -0.5347000    
 H   -4.684100       2.373500       1.135400    
 H   -3.509100      -3.075300      -1.348700    
 H   -2.856900      -3.899100      6.1299998E-02
 H    3.766500      -2.553000     -0.2982000    
 H    3.477400     -0.8177000     -0.3546000    
 H  -0.3814000       4.422900      0.3688000    
 H  -0.3973000       3.220500       1.649400    
 H   -5.782900      0.2312000      0.7333000    
 H   -4.488700      2.4900001E-02   1.909100    
 H   0.1277000       1.431200     -9.4999997E-03
 H   7.5400002E-02   2.611000      -1.305700    
 H    4.147400     -0.6432000       2.070700    
 H    4.474800      -2.377800       2.089800    
 H   -3.272200      -2.000800       1.484500    
 H   -4.274100     -0.7054000      -1.106800    
 H    2.027600       3.807900     -0.2602000    
 H    2.076900       2.551200       1.002500    
 H   -2.078700      -1.612500      -2.506800    
 H    5.886700     -0.3234000      0.3039000    
 H    6.218300      -2.066800      0.3176000    
 H    6.559200      -1.087100       1.754500    
 H    4.596300       1.561800      -1.170500    


%chk=000008839-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008839

0 1
O -1.341834 -1.223065 -1.678700
O 3.793584 1.808890 0.559076
O 2.708365 1.375431 -1.446616
C -0.321910 -2.377768 0.167764
C 1.111968 -2.239907 -0.390108
C -1.376563 -2.505429 -0.943306
C 2.175323 -2.025832 0.709424
C -2.787205 1.831919 0.613176
C -2.282338 3.156658 -0.005455
C -4.316128 1.649182 0.480513
C -2.814990 -2.830405 -0.437243
C 3.604903 -1.887448 0.138387
C -0.812965 3.495042 0.346387
C -4.816716 0.269407 1.005294
C 0.222513 2.476652 -0.183772
C 4.673279 -1.595562 1.217529
C -3.387147 -1.787099 0.497247
C -4.327870 -0.873993 0.141929
C 1.659259 2.885279 0.217107
C 6.081711 -1.370145 0.623436
C 2.720021 1.956825 -0.338935
H -0.388399 -3.266248 0.828973
H -0.567628 -1.489465 0.781920
H 1.367012 -3.150194 -0.973703
H 1.136818 -1.391729 -1.099984
H -1.074319 -3.328033 -1.632878
H 1.925044 -1.109469 1.285495
H 2.144391 -2.866937 1.434483
H -2.278640 0.973082 0.135630
H -2.514727 1.806284 1.690420
H -2.928959 3.988953 0.343145
H -2.397697 3.112419 -1.108476
H -4.610584 1.762067 -0.584114
H -4.835493 2.456792 1.036125
H -3.479530 -2.940128 -1.319868
H -2.776559 -3.822705 0.057138
H 3.878216 -2.816661 -0.404159
H 3.608376 -1.077857 -0.621084
H -0.565393 4.499212 -0.057689
H -0.718592 3.570858 1.450647
H -5.925584 0.278000 1.029180
H -4.469808 0.129607 2.048360
H 0.006159 1.466153 0.210613
H 0.155757 2.397681 -1.285111
H 4.366126 -0.705074 1.804565
H 4.708522 -2.438497 1.936906
H -2.964785 -1.742295 1.512667
H -4.745184 -0.916190 -0.878536
H 1.874949 3.901900 -0.172911
H 1.772794 2.938076 1.313968
H -2.075846 -1.212285 -2.344040
H 6.084294 -0.532211 -0.103764
H 6.429830 -2.266914 0.077340
H 6.826083 -1.138860 1.407319
H 4.474195 1.197536 0.162584


